Chemical ID: 5613997

CC(=C1C(=O)NC(c2ccccc2N1)c3ccccc3)NC(=O)OC
Chemical ID:
5613997
Name [?]:
methyl 1-(4-oxo-2-phenyl-3,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-ylidene)ethylaminoformate
SMILES [?]:
CC(=C1C(=O)NC(c2ccccc2N1)c3ccccc3)NC(=O)OC
InChi [?]:
InChI=1/C19H19N3O3/c1-12(20-19(24)25-2)16-18(23)22-17(13-8-4-3-5-9-13)14-10-6-7-11-15(14)21-16/h3-11,17,21H,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,18,17,19,10,11,16,20,9,12,2,15,8,13,3,7,4,22,21,14,6,5,23,24/E:(4,5)(8,9)/rA:25cCCCCONCCCCCCCNCCCCCCNCOOC/rB:s1;w2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s3s13;s7;s15;d16;s17;d18;d15s19;s2;s21;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.2428
Area:524.091
Solvation:-2.85948
Coulombic:-69.2577
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:337.373
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.91
LogP (Chemaxon):1.6

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Descriptor Annotations

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