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Chemical ID: 6033484
Chemical ID:
6033484
Name [?]:
4-chloro-N-cyclopropyl-N-[[4-[2-(1-piperidyl)ethylcarbamoylmethyl]thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCN3CCCCC3)C4CC4)Cl
InChi [?]:
InChI=1/C24H30ClN5O3S/c25-18-6-4-17(5-7-18)23(33)30(20-8-9-20)15-22(32)28-24-27-19(16-34-24)14-21(31)26-10-13-29-11-2-1-3-12-29/h4-7,16,20H,1-3,8-15H2,(H,26,31)(H,27,28,32)
InChi Info:
AuxInfo=1/1/N:28,27,29,1,5,2,4,32,33,23,26,30,24,19,10,17,6,3,16,31,20,11,7,14,34,22,15,13,25,9,21,12,8,18/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:34nCCCCCCCONCCONCNCCSCCONCCNCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;s25s29;s9;s31;s31s32;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30ClN5O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.97 |
Area: | 756.909 |
Solvation: | -5.95274 |
Coulombic: | -66.7587 |
Bond Count [?]
All: | 37 |
Single: | 29 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 504.046 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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