Chemical ID: 5187368

CCOC(=O)c1c(c2c(s1)ncn(c2=O)CC(=O)Nc3ccccc3OC)C
Chemical ID:
5187368
Name [?]:
ethyl 3-[(2-methoxyphenyl)carbamoylmethyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(s1)ncn(c2=O)CC(=O)Nc3ccccc3OC)C
InChi [?]:
InChI=1/C19H19N3O5S/c1-4-27-19(25)16-11(2)15-17(28-16)20-10-22(18(15)24)9-14(23)21-12-7-5-6-8-13(12)26-3/h5-8,10H,4,9H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,28,27,2,22,23,21,24,16,12,7,20,25,17,8,6,9,14,4,11,19,13,18,15,5,26,3,10/rA:28nCCOCOCCCCSNCNCOCCONCCCCCCOCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;d11;s12;s8s13;d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.201
Area:611.362
Solvation:-5.08306
Coulombic:-69.023
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.437
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.93
LogP (Chemaxon):1.9

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Descriptor Annotations

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