Chemical ID: 6030498

CCN1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(C(C)C)C(=O)c3ccc(cc3)C
Chemical ID:
6030498
Name [?]:
N-[[4-[(4-ethylpiperazin-1-yl)carbonylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isopropyl-4-methyl-benzamide
SMILES [?]:
CCN1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(C(C)C)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H33N5O3S/c1-5-27-10-12-28(13-11-27)22(31)14-20-16-33-24(25-20)26-21(30)15-29(17(2)3)23(32)19-8-6-18(4)7-9-19/h6-9,16-17H,5,10-15H2,1-4H3,(H,25,26,30)
InChi Info:
AuxInfo=1/1/N:1,23,24,33,2,29,31,28,32,4,8,5,7,11,20,13,22,30,27,12,18,9,25,15,16,17,3,6,21,19,10,26,14/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:33nCCNCCNCCCOCCCSCNNCOCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s22;s21;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N5O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.0597
Area:717.278
Solvation:-5.8723
Coulombic:-62.1347
Bond Count [?]
All:35
Single:27
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:471.617
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.95
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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