Chemical ID: 6033829

Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)Nc2nc(cs2)CC(=O)N3CCN(CC3)C(=O)C
Chemical ID:
6033829
Name [?]:
N-[[4-[(4-acetylpiperazin-1-yl)carbonylmethyl]thiazol-2-yl]carbamoylmethyl]-N-(2-methoxyethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCOC)CC(=O)Nc2nc(cs2)CC(=O)N3CCN(CC3)C(=O)C
InChi [?]:
InChI=1/C24H31N5O5S/c1-17-4-6-19(7-5-17)23(33)29(12-13-34-3)15-21(31)26-24-25-20(16-35-24)14-22(32)28-10-8-27(9-11-28)18(2)30/h4-7,16H,8-15H2,1-3H3,(H,25,26,31)
InChi Info:
AuxInfo=1/1/N:1,35,14,3,7,4,6,29,31,28,32,11,12,24,15,22,2,33,5,21,16,25,8,19,20,18,30,27,10,34,17,26,9,13,23/E:(4,5)(6,7)(8,9)(10,11)/rA:35nCCCCCCCCONCCOCCCONCNCCSCCONCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;s21;s24;d25;s25;s27;s28;s29;s30;s27s31;s30;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N5O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.119
Area:758.445
Solvation:-7.84209
Coulombic:-79.3519
Bond Count [?]
All:37
Single:28
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:501.6
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:0.24
LogP (Chemaxon):0.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue