Chemical ID: 6033489

CN(C)CCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)Cl
Chemical ID:
6033489
Name [?]:
4-chloro-N-cyclopropyl-N-[[4-(2-dimethylaminoethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CN(C)CCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H26ClN5O3S/c1-26(2)10-9-23-18(28)11-16-13-31-21(24-16)25-19(29)12-27(17-7-8-17)20(30)14-3-5-15(22)6-4-14/h3-6,13,17H,7-12H2,1-2H3,(H,23,28)(H,24,25,29)
InChi Info:
AuxInfo=1/1/N:1,3,26,30,27,29,21,22,5,4,9,18,11,25,28,10,20,7,16,23,13,31,6,14,15,2,19,8,17,24,12/E:(1,2)(3,4)(5,6)(7,8)/rA:31nCNCCCNCOCCCSCNNCOCNCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s20s21;s19;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26ClN5O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.9
Area:708.842
Solvation:-5.82105
Coulombic:-66.6423
Bond Count [?]
All:33
Single:25
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:463.982
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.44
LogP (Chemaxon):1.55

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