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Chemical ID: 6556195
Chemical ID:
6556195
Name [?]:
(3-acetylphenyl)carbamoylmethyl 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)OCC(=O)Nc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C18H17NO4/c1-12-6-3-4-9-16(12)18(22)23-11-17(21)19-15-8-5-7-14(10-15)13(2)20/h3-10H,11H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,4,5,17,3,18,16,6,20,11,2,21,19,15,7,12,8,14,22,13,9,10/rA:23nCCCCCCCCOOCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7751 |
Area: | 530.234 |
Solvation: | -4.48074 |
Coulombic: | -48.4679 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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