Chemical ID: 6030660

CCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCN(CC2)c3ccccc3F)C(=O)c4ccccc4
Chemical ID:
6030660
Name [?]:
N-[[4-[[4-(2-fluorophenyl)piperazin-1-yl]carbonylmethyl]thiazol-2-yl]carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCN(CC2)c3ccccc3F)C(=O)c4ccccc4
InChi [?]:
InChI=1/C27H30FN5O3S/c1-2-12-33(26(36)20-8-4-3-5-9-20)18-24(34)30-27-29-21(19-37-27)17-25(35)32-15-13-31(14-16-32)23-11-7-6-10-22(23)28/h3-11,19H,2,12-18H2,1H3,(H,29,30,34)
InChi Info:
AuxInfo=1/1/N:1,2,35,34,36,26,25,33,37,27,24,3,19,21,18,22,14,5,12,32,11,28,23,6,15,30,9,29,10,8,20,17,4,7,16,31,13/E:(4,5)(8,9)(13,14)(15,16)/rA:37nCCCNCCONCNCCSCCONCCNCCCCCCCCFCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;s20;s17s21;s20;s23;d24;s25;d26;d23s27;s28;s4;d30;s30;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30FN5O3S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:11.8153
Area:771.362
Solvation:-7.46876
Coulombic:-68.8995
Bond Count [?]
All:40
Single:29
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:523.623
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.32
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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