Chemical ID: 4702760

CC1(C(=O)Nc2c(cccn2)O1)C(=O)NCc3ccc(c(c3)Cl)Cl
Chemical ID:
4702760
Name [?]:
N-[(3,4-dichlorophenyl)methyl]-8-methyl-9-oxo-7-oxa-2,10-diazabicyclo[4.4.0]deca-1,3,5-triene-8-carboxamide
SMILES [?]:
CC1(C(=O)Nc2c(cccn2)O1)C(=O)NCc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O3/c1-16(15(23)21-13-12(24-16)3-2-6-19-13)14(22)20-8-9-4-5-10(17)11(18)7-9/h2-7H,8H2,1H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,9,8,18,19,10,22,16,17,20,21,7,6,13,3,2,24,23,11,15,5,14,4,12/rA:24cCCCONCCCCCNOCONCCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s7;s2;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.1964
Area:529.989
Solvation:-3.0533
Coulombic:-59.9227
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.198
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.63
LogP (Chemaxon):2.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue