Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-2-methyl-N-(2-(1-methylethyl)phenyl)-

HCID 3072808CAS 144169-97-1
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기본 정보

표준 SMILES
Cc1ccc2c(c1)C(C(=O)Nc1ccccc1C(C)C)c1ccccc1CO2
InChIKey
VUUXTSZTYACSOI-UHFFFAOYSA-N
분자식
C25H25NO2
평균 분자량
371.5 g/mol

이름 및 식별자

우선 이름
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-2-methyl-N-(2-(1-methylethyl)phenyl)-
IUPAC
2-methyl-N-(2-propan-2-ylphenyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

이름 및 동의어

6,11-Dihydro-N-(2-isopropylphenyl)-2-methyldibenz(b,e)oxepin-11-carboxamide144169-97-12-Methyl-N-(2-(1-methylethyl)phenyl)-6,11-dihydro-ibenz(b,e)oxepin-11-carboxamideDibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-2-methyl-N-(2-(1-methylethyl)phenyl)-RefChem:336987CHEMBL352567SCHEMBL8798008DTXSID60932252VUUXTSZTYACSOI-UHFFFAOYSA-NBDBM500408502-Methyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2-isopropyl-phenyl)-amide2-Methyl-N-[2-(propan-2-yl)phenyl]-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid
이름 더 보기
6,11-Dihydro-N-(2-isopropylphenyl)-2-methyldibenz[b,e]-oxepin-11-carboxamide

데이터베이스 식별자

CAS
144169-97-1
PubChem CID
3072808
DTXSID
DTXSID60932252
ChEMBL
CHEMBL352567
Nikkaji
J581.050G

물성

구조 계산 물성

XLogP
5.4
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
28

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