5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

HCID 470667
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기본 정보

표준 SMILES
CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21
InChIKey
CKKSVVDATCYHNV-UHFFFAOYSA-N
분자식
C22H21ClN4O
평균 분자량
392.9 g/mol

이름 및 식별자

우선 이름
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
IUPAC
5-chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

이름 및 동의어

BDBM2022CHEMBL102192SCHEMBL6959500CKKSVVDATCYHNV-UHFFFAOYSA-N2,8-Substituted Dipyridodiazepinone 362,8-disubstituted dipyridodiazepinone III2-chloro-11-ethyl-5-methyl-8-phenethyl-dipyrido[[?],[?]][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-5-methyl-8-(2-phenylethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-phenylethyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2Chloro-5,11-dihydro-11-ethyl-5-methyl-8-(2-phenylethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

데이터베이스 식별자

PubChem CID
470667
ChEMBL
CHEMBL102192
Nikkaji
J992.937A

물성

구조 계산 물성

XLogP
4.8
극성 표면적
49.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
28

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