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Chemical ID: 6009019
Chemical ID:
6009019
Name [?]:
N-(cyclohexylmethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-2-phenyl-cyclopropane-1-carboxamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCCC2)C(=O)C3CC3c4ccccc4
InChi [?]:
InChI=1/C23H29N3O2S/c1-16-15-29-23(24-16)25-21(27)14-26(13-17-8-4-2-5-9-17)22(28)20-12-19(20)18-10-6-3-7-11-18/h3,6-7,10-11,15,17,19-20H,2,4-5,8-9,12-14H2,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,16,27,15,17,26,28,14,18,25,29,22,12,10,3,2,13,24,23,21,8,19,5,6,7,11,9,20,4/E:(4,5)(6,7)(8,9)(10,11)/rA:29cCCCSCNNCOCNCCCCCCCCOCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;s21s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4989 |
Area: | 621.253 |
Solvation: | -4.03246 |
Coulombic: | -42.9415 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 411.561 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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