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Chemical ID: 3891136
Chemical ID:
3891136
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)cyclopropanecarboxamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccc(cc2)Cl)C(=O)C3CC3
InChi [?]:
InChI=1/C18H22ClN3OS/c1-21(2)10-3-11-22(17(23)14-4-5-14)18-20-16(12-24-18)13-6-8-15(19)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,23,24,14,18,15,17,4,6,11,13,22,16,10,20,8,19,9,2,7,21,12/E:(1,2)(4,5)(6,7)(8,9)/rA:24nCNCCCCNCNCCSCCCCCCClCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;s7;d20;s20;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22ClN3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3532 |
Area: | 585.477 |
Solvation: | -3.2837 |
Coulombic: | -27.5397 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 363.906 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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