Chemical ID: 6000954

CCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)c3ccccc3
Chemical ID:
6000954
Name [?]:
N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-phenyl-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C22H23N3O2S/c1-3-13-25(14-20(26)24-22-23-16(2)15-28-22)21(27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,14,2,26,25,27,24,28,19,21,18,22,3,5,12,11,23,20,17,6,15,9,10,8,4,7,16,13/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCNCCONCNCCSCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s4;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7137
Area:626.688
Solvation:-3.95346
Coulombic:-45.1271
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.503
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):4.2

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Descriptor Annotations

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