Chemical ID: 4935233

CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)N
Chemical ID:
4935233
Name [?]:
None
SMILES [?]:
CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)N
InChi [?]:
InChI=1/C20H17N3O3/c1-2-20(21)14-8-16-17-12(7-11-5-3-4-6-15(11)22-17)9-23(16)18(24)13(14)10-26-19(20)25/h3-8H,2,9-10,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,20,25,5,15,11,24,16,10,4,19,6,17,8,13,3,26,18,7,9,14,12/rA:26cCCCCCCNCOCCOCOCCCNCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.54978
Area:516.195
Solvation:-3.35508
Coulombic:-54.4328
Bond Count [?]
All:30
Single:21
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:347.367
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):1.74

Name Annotations

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Descriptor Annotations

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