Chemical ID: 6030599

CC(C)CNC(=O)Cc1csc(n1)NC(=O)CN(C(C)C)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
6030599
Name [?]:
3,4-dichloro-N-[[4-(isobutylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)CNC(=O)Cc1csc(n1)NC(=O)CN(C(C)C)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C21H26Cl2N4O3S/c1-12(2)9-24-18(28)8-15-11-31-21(25-15)26-19(29)10-27(13(3)4)20(30)14-5-6-16(22)17(23)7-14/h5-7,11-13H,8-10H2,1-4H3,(H,24,28)(H,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,25,26,29,8,4,17,10,2,19,24,9,27,28,6,15,22,12,31,30,5,13,14,18,7,16,23,11/E:(1,2)(3,4)/rA:31nCCCCNCOCCCSCNNCOCNCCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s19;s18;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26Cl2N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.2441
Area:709.245
Solvation:-5.487
Coulombic:-62.8428
Bond Count [?]
All:32
Single:24
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:485.428
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.62
LogP (Chemaxon):3.95

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Descriptor Annotations

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