Chemical ID: 6033840

CCN1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(CCOC)C(=O)c3ccc(cc3)C
Chemical ID:
6033840
Name [?]:
N-[[4-[(4-ethylpiperazin-1-yl)carbonylmethyl]thiazol-2-yl]carbamoylmethyl]-N-(2-methoxyethyl)-4-methyl-benzamide
SMILES [?]:
CCN1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(CCOC)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H33N5O4S/c1-4-27-9-11-28(12-10-27)22(31)15-20-17-34-24(25-20)26-21(30)16-29(13-14-33-3)23(32)19-7-5-18(2)6-8-19/h5-8,17H,4,9-16H2,1-3H3,(H,25,26,30)
InChi Info:
AuxInfo=1/1/N:1,34,25,2,30,32,29,33,4,8,5,7,22,23,11,20,13,31,28,12,18,9,26,15,16,17,3,6,21,19,10,27,24,14/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCCNCCNCCCOCCCSCNNCOCNCCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s23;s24;s21;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N5O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.3676
Area:744.926
Solvation:-8.25557
Coulombic:-68.1214
Bond Count [?]
All:36
Single:28
Double:8
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:487.616
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.88
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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