Chemical ID: 6025264

CCC(C)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)C(C)(C)C
Chemical ID:
6025264
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2,2-dimethyl-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C24H34N2O2S/c1-7-19(3)26(23(28)24(4,5)6)17-22(27)25(15-20-11-9-8-10-12-20)16-21-18(2)13-14-29-21/h8-14,19H,7,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,23,4,27,28,29,2,14,13,15,12,16,20,21,10,17,6,19,3,11,18,7,24,26,9,5,8,25,22/E:(4,5,6)(9,10)(11,12)/rA:29cCCCCNCCONCCCCCCCCCCCCSCCOCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s19;s5;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.9885
Area:608.357
Solvation:-3.22042
Coulombic:-36.1599
Bond Count [?]
All:30
Single:23
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:414.605
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):5.15

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Descriptor Annotations

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