Chemical ID: 6033500

CCCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)C
Chemical ID:
6033500
Name [?]:
N-[[4-(butylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-cyclopropyl-4-methyl-benzamide
SMILES [?]:
CCCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C22H28N4O3S/c1-3-4-11-23-19(27)12-17-14-30-22(24-17)25-20(28)13-26(18-9-10-18)21(29)16-7-5-15(2)6-8-16/h5-8,14,18H,3-4,9-13H2,1-2H3,(H,23,27)(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,3,26,28,25,29,20,21,4,8,17,10,27,24,9,19,6,15,22,12,5,13,14,18,7,16,23,11/E:(5,6)(7,8)(9,10)/rA:30nCCCCNCOCCCSCNNCOCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s19s20;s18;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8612
Area:680.369
Solvation:-5.14802
Coulombic:-62.5347
Bond Count [?]
All:32
Single:24
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:428.549
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.75
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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