Name: Name:N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c
Brand: Angene
SKU: AG00993C
Rating: 90 (10 reviews)

N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c

CAS No.:

1040245-49-5

Catalog Number:

AG00993C

Molecular Formula:

C37H31F6N3S

Molecular Weight:

663.7176

Catalog Number:

AG00993C

Chemical Name:

N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c

CAS Number:

1040245-49-5

Molecular Formula:

C37H31F6N3S

Molecular Weight:

663.7176

MDL Number:

MFCD30541676

IUPAC Name:

1-[2-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

InChI:

InChI=1S/C37H31F6N3S/c38-36(39,40)26-17-27(37(41,42)43)19-28(18-26)44-35(47)45-31-11-5-6-12-32(31)46-20-24-15-13-22-7-1-3-9-29(22)33(24)34-25(21-46)16-14-23-8-2-4-10-30(23)34/h1-4,7-10,13-19,31-32H,5-6,11-12,20-21H2,(H2,44,45,47)

InChI Key:

NBHCLYDPDKSHJN-UHFFFAOYSA-N

SMILES:

S=C(NC1CCCCC1N1Cc2ccc3c(c2c2c(C1)ccc1c2cccc1)cccc3)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Complexity:

1020

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

663.214g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

663.726g/mol

Monoisotopic Mass:

663.214g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.9